| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2005 | 27 | No |
Popular Name: CNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O CNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -1.85 | 2.8 | -341.79 | 1 | 14 | -4 | 210 | 421.199 | 7 | ↓ |
| Mid Mid (pH 6-8) | -1.85 | 1.64 | -214.99 | 2 | 14 | -3 | 207 | 422.207 | 7 | ↓ |
| Mid Mid (pH 6-8) | -1.85 | 1.65 | -216.4 | 2 | 14 | -3 | 207 | 422.207 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -1.85 | 0.5 | -106.51 | 3 | 14 | -2 | 204 | 423.215 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GPR17-1-E | Uracil Nucleotide/cysteinyl Leukotriene Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 508 | 0.33 | Binding ≤ 10μM |
| P2RX1-1-E | P2X Purinoceptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1150 | 0.31 | Binding ≤ 10μM |
| P2RY1-1-E | Purinergic Receptor P2Y1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 980 | 0.31 | Binding ≤ 10μM |
| P2RX1-1-E | P2X Purinoceptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1150 | 0.31 | Functional ≤ 10μM |
| P2RY1-1-E | P2Y Purinoceptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 331 | 0.34 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RY1_HUMAN | P47900 | Purinergic Receptor P2Y1, Human | 508 | 0.33 | Binding ≤ 1μM |
| GPR17_HUMAN | Q13304 | Uracil Nucleotide/cysteinyl Leukotriene Receptor, Human | 508 | 0.33 | Binding ≤ 1μM |
| P2RX1_HUMAN | P51575 | P2X Purinoceptor 1, Human | 1150 | 0.31 | Binding ≤ 10μM |
| P2RY1_HUMAN | P47900 | Purinergic Receptor P2Y1, Human | 508 | 0.33 | Binding ≤ 10μM |
| GPR17_HUMAN | Q13304 | Uracil Nucleotide/cysteinyl Leukotriene Receptor, Human | 508 | 0.33 | Binding ≤ 10μM |
| P2RX1_HUMAN | P51575 | P2X Purinoceptor 1, Human | 1150 | 0.31 | Functional ≤ 10μM |
| P2RY1_HUMAN | P47900 | Purinergic Receptor P2Y1, Human | 330 | 0.34 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| ADP signalling through P2Y purinoceptor 1 | |
| Elevation of cytosolic Ca2+ levels | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Leukotriene receptors | |
| P2Y receptors | |
| Platelet homeostasis |
